![2,3,6-Trimethyl-benzo-[b]-furan](/cid/79-777-3/2-3-6-Trimethyl-benzo-b-furan.png "2,3,6-Trimethyl-benzo-[b]-furan")
- InChI
- InChI=1S/C11H12O/c1-7-4-5-10-8(2)9(3)12-11(10)6-7/h4-6H,1-3H3
- InChI Key
- JHWKKCNDPCOCDL-UHFFFAOYSA-N
- Formula
- C11H12O
- SMILES
- Cc1ccc2c(C)c(C)oc2c1
- Molecular Weight1
- 160.21
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4643 | Relay (1.0) Calculated Property | |
| ΔfG° | 76.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -86.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.358 | Crippen Calculated Property | |
| McVol | 132.800 | ml/mol | McGowan Calculated Property |
| Pc | 2961.02 | kPa | Relay (1.0-beta) Calculated Property |
| I | 1822.00 | NIST | |
| Tboil | 515.21 | K | Relay (1.0) Calculated Property |
| Tc | 754.55 | K | Relay (1.0) Calculated Property |
| Tfus | 313.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trimethyl-benzo-[b]-furan.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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